SCHEMBL8211656

SCHEMBL8211656

CCc1c(Oc2ccccc2)cccc1C(N)=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.52
BRD4 O60885 2/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
NR1I2 O75469 1/20 0.47
CHRM2 P08172 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6206619 0.84 PARP10 (0.50) CTNNB1SMN1; SMN2BRD4LMNAMAPT
SCHEMBL1135994 0.82 CTSD (0.49) SMN1; SMN2LMNAMAPTMEN1KMT2A
Methyl Alcohol SCHEMBL8782982 0.82 CTNNB1 (0.93) CTNNB1SMN1; SMN2BRD4SIRT2SIRT1
SCHEMBL28876495 0.81 CTNNB1 (1.00) CTNNB1SMN1; SMN2BRD4SIRT2SIRT1
SCHEMBL27680126 0.81 CTNNB1 (1.00) CTNNB1SMN1; SMN2BRD4SIRT2SIRT1
SCHEMBL5724 0.81 CTNNB1 (1.00) CTNNB1SMN1; SMN2BRD4SIRT2SIRT1
SCHEMBL16829425 0.81 MEN1 (0.49) L3MBTL1LMNAMAPTMEN1KMT2A
SCHEMBL15334095 0.80 KMT2A (0.42) CTNNB1SIRT2LMNAMAPTMEN1
Hydrochloric Acid SCHEMBL50731 0.80 CTNNB1 (0.96) CTNNB1SMN1; SMN2BRD4SIRT2SIRT1
SCHEMBL28081666 0.80 CTNNB1 (0.96) CTNNB1SMN1; SMN2BRD4SIRT2SIRT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6140352-A FOR AGONIZING THE BETA 3 ADRENERGIC RECEPTOR TO TREAT TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-10-31 US disclosed
US-6093735-A TREATMENT OF TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-07-25 US disclosed